(3S,4R)-3-methoxy-1-[6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-amine

C12H20N4O2 — CID 56864369

IUPAC(3S,4R)-3-methoxy-1-[6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-amine
SMILESCOCc1cc(N2CC[C@@H](N)[C@@H](OC)C2)ncn1
InChIInChI=1S/C12H20N4O2/c1-17-7-9-5-12(15-8-14-9)16-4-3-10(13)11(6-16)18-2/h5,8,10-11H,3-4,6-7,13H2,1-2H3/t10-,11+/m1/s1
InChIKeyDADFNDNBEOYVIO-MNOVXSKESA-N
MW252.32 g/mol
LogP0.18
Rot. Bonds4

About (3S,4R)-3-methoxy-1-[6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-amine

(3S,4R)-3-methoxy-1-[6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-amine (PubChem CID 56864369) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (3S,4R)-3-methoxy-1-[6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-methoxy-1-[6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-amine
PubChem CID56864369
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(3S,4R)-3-methoxy-1-[6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-amine
SMILESCOCc1cc(N2CC[C@@H](N)[C@@H](OC)C2)ncn1
InChIInChI=1S/C12H20N4O2/c1-17-7-9-5-12(15-8-14-9)16-4-3-10(13)11(6-16)18-2/h5,8,10-11H,3-4,6-7,13H2,1-2H3/t10-,11+/m1/s1
InChIKeyDADFNDNBEOYVIO-MNOVXSKESA-N
XLogP0.18
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methoxy-1-[6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-amine?
The IUPAC name of (3S,4R)-3-methoxy-1-[6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-amine (CID 56864369) is (3S,4R)-3-methoxy-1-[6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-methoxy-1-[6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-amine?
The canonical SMILES for (3S,4R)-3-methoxy-1-[6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-amine is COCc1cc(N2CC[C@@H](N)[C@@H](OC)C2)ncn1.
What is the InChIKey of (3S,4R)-3-methoxy-1-[6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-amine?
The InChIKey is DADFNDNBEOYVIO-MNOVXSKESA-N. The full InChI is InChI=1S/C12H20N4O2/c1-17-7-9-5-12(15-8-14-9)16-4-3-10(13)11(6-16)18-2/h5,8,10-11H,3-4,6-7,13H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (3S,4R)-3-methoxy-1-[6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-amine?
(3S,4R)-3-methoxy-1-[6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-amine has a molecular weight of 252.32 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methoxy-1-[6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-amine is sourced from PubChem (CID 56864369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).